[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine

C13H21N3O — CID 113371134

IUPAC[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine
SMILESCCCOc1cccnc1N1CCCC1CN
InChIInChI=1S/C13H21N3O/c1-2-9-17-12-6-3-7-15-13(12)16-8-4-5-11(16)10-14/h3,6-7,11H,2,4-5,8-10,14H2,1H3
InChIKeyCESMCNXKUZSISI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds5

About [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine

[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine (PubChem CID 113371134) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine
PubChem CID113371134
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine
SMILESCCCOc1cccnc1N1CCCC1CN
InChIInChI=1S/C13H21N3O/c1-2-9-17-12-6-3-7-15-13(12)16-8-4-5-11(16)10-14/h3,6-7,11H,2,4-5,8-10,14H2,1H3
InChIKeyCESMCNXKUZSISI-UHFFFAOYSA-N
XLogP1.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997
[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 58067642
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine
CID 113371357
(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol
CID 104892838
2-[(2S)-2-(ethoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129323119
2-(3-bromo-4-methylpiperidin-1-yl)-3-propoxypyridine
CID 102961198
[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 115313360
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684

Frequently Asked Questions

What is the IUPAC name of [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine (CID 113371134) is [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine is CCCOc1cccnc1N1CCCC1CN.
What is the InChIKey of [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The InChIKey is CESMCNXKUZSISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-9-17-12-6-3-7-15-13(12)16-8-4-5-11(16)10-14/h3,6-7,11H,2,4-5,8-10,14H2,1H3.
What are the key properties of [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine?
[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 113371134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).